RefChem:1097186
TL;DR: RefChem:1097186 (CAS 57791-10-3) is a chemical compound with molecular formula C21H27ClN2O5 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(5-chloro-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine
Also Known As: Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-5-chloro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, maleate, (E)-but-2-enedioic acid; 2-(5-chloro-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine, Pyrano[3,4-b]indole-1-ethanamine, 5-chloro-1,3,4,9-tetrahydro-N,N,1,9-tetramethyl-, (Z)-2-butenedioate (1:1), RefChem:1097186
| Molecular Formula | C21H27ClN2O5 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 3.2831 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.16086 |
| Heavy Atoms | 29 |
| Complexity | 918.78467 |
Chemical Identifiers
| CAS Number | 57791-10-3 |
|---|---|
| SMILES | CC1(C2=C(CCO1)C3=C(N2C)C=CC=C3Cl)CCN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097186 (CAS 57791-10-3), with molecular formula C21H27ClN2O5 and molecular weight 422.16 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(5-chloro-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine.
Chemical Property Profile of RefChem:1097186
Property Insights of RefChem:1097186
The XLogP value of 3.2831 indicates that RefChem:1097186 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097186. Following Lipinski's Rule of Five, RefChem:1097186 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097186?
The CAS number of RefChem:1097186 is 57791-10-3.
What is the molecular formula of RefChem:1097186?
The molecular formula of RefChem:1097186 is C21H27ClN2O5.
What is the molecular weight of RefChem:1097186?
The molecular weight of RefChem:1097186 is 422.16 g/mol.
Where can I buy RefChem:1097186?
You can request a quote for RefChem:1097186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097186?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.